DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:54 UTC
Update Date	2025-03-25 00:49:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175985
Frequency	0.5
Structure
Chemical Formula	C₈H₁₄N₄O₆
Molecular Mass	262.0913
SMILES	NC(=O)CC(N)C(=O)NC(CC[N+](=O)[O-])C(=O)O
InChI Key	HLWXWPCGWCIPPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives c-nitro compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids nitro fatty acids organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid allyl-type 1,3-dipolar organic compound fatty amide fatty acid alpha-amino acid or derivatives organic nitro compound propargyl-type 1,3-dipolar organic compound nitro fatty acid organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives organic oxoazanium n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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